N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | J039-0253 |
| Compound Name: | N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-({4-methyl-5-[1-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 543.04 |
| Molecular Formula: | C25 H27 Cl N6 O4 S |
| Smiles: | CC(c1nnc(n1C)SCC(Nc1ccc(c(c1)[Cl])N1CCOCC1)=O)N1C(COc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6519 |
| logD: | 2.6517 |
| logSw: | -3.4035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | GKHFIPSYPVMQAT-INIZCTEOSA-N |